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The oxygen reduction reaction (ORR) is a critical process in energy conversion systems, influencing the efficiency and performance of various devices such as fuel cells, batteries, and electrolyzers. Perovskite-supported metal materials (metal/perovskite) offer several advantages as ORR electrocatalysts, including strong metal-support interactions, oxygen vacancy formation in the perovskite lattice, and synergistic triple-phase boundary (TPB) activity at the interface. Despite their significance, the mechanistic understanding of ORR on metal/perovskite catalysts remains incomplete, particularly at metal/perovskite interfaces. This study investigates ORR on BaZrO3 (BZO) perovskite-supported metal clusters (Pt or Ag) using density functional theory (DFT) to unravel critical insights into charge redistribution at the metal/BZO interface. Energy profiles for elemental steps along two different ORR pathways—oxygen adsorption on the metal cluster surface and direct oxygen adsorption at the TPB—were calculated to explore the effects of different active sites. The results provide a deeper understanding of ORR on metal/perovskite catalysts, emphasizing the role of interfacial interactions and pathway-dependent reaction mechanisms. This work paves the way for guiding the design of high-performance electrocatalysts for ORR in terms of composition, interface design, and local environment modification for a broad range of energy applications. 

Abstract In the rapidly developing field of nanophotonics, machine learning (ML) methods facilitate the multi‐parameter optimization processes and serve as a valuable technique in tackling inverse design challenges by predicting nanostructure designs that satisfy specific optical property criteria. However, while considerable efforts have been devoted to applying ML for designing the overall spectral response of photonic nanostructures, often without elucidating the underlying physical mechanisms, physics‐based models remain largely unexplored. Here, physics‐empowered forward and inverse ML models to design dielectric meta‐atoms with controlled multipolar responses are introduced. By utilizing the multipole expansion theory, the forward model efficiently predicts the scattering response of meta‐atoms with diverse shapes and the inverse model designs meta‐atoms that possess the desired multipole resonances. Implementing the inverse design model, uniquely shaped meta‐atoms with enhanced higher‐order magnetic resonances and those supporting a super‐scattering regime of light‐matter interactions resulting in nearly five‐fold enhancement of scattering beyond the single‐channel limit are designed. Finally, an ML model to predict the wavelength‐dependent electric field distribution inside and near the meta‐atom is developed. The proposed ML based models will likely facilitate uncovering new regimes of linear and nonlinear light‐matter interaction at the nanoscale as well as a versatile toolkit for nanophotonic design. 

Dense silver (Ag) cathodes with defined triple phase boundary (TPB between the interface of electrolyte, electrode, and gas) lengths (LTPB) and electrode areas (AELT) were fabricated by photolithography and E-beam evaporation over a proton conducting BaZr0.4Ce0.4Y0.1Yb0.1O3−δ (BZCYYb4411) electrolyte. A bi-layer lift-off resist method appears to be more versatile than a single layer lift-off resist method for successful patterned cathode fabrication. The electrochemical behaviors of the patterned Ag cathodes over the BZCYYb4411 electrolyte were tested by electrochemical impedance spectroscopy (EIS) at different temperatures in atmospheres with different concentrations of O2 and H2O. The results were processed using Distribution of Relaxation Times (DRT) and reaction order analyses and also fitted to equivalent circuits. The directions for future work on patterned electrodes with different LTPB and AELT and theoretical calculations to gain further insights into the kinetics and mechanism of the cathode oxygen reduction reaction (ORR) over proton conducting electrolytes are pointed out. 

BaCo0.4Fe0.4Zr0.1Y0.1O3−σ (BCFZY) is a proton, oxygen-ion, and electron-hole conducting cathode material for intermediate temperature solid oxide fuel cells. Its electrode reaction mechanism in air with moisture is not well understood. In this study, three types of symmetrical cells with the same BCFZY cathode were fabricated over three related proton conducting electrolytes: BaZr0.8−xCexY0.1Yb0.1O3−δ (x = 0.1, 0.4, and 0.7). The cathode shows similar performance over three different electrolytes in dry air but different responses to moisture introduction. The differences are hypothesized to relate to the mutual diffusion at the cathode/electrolyte interface. Such a hypothesis is supported by different techniques such as XRD Rietveld refinement of BCFZY cathode in mixtures with different electrolytes after firing, energy-dispersive X-ray spectroscopy (EDS) line scanning for element concentration distribution at the cathode/electrolyte interface, as well as electrochemical test for a related BaCoFeO-type cathode with Zr replaced by Ce.